Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------MATIDLPDNLVQTLSLVLNQLQQVLPEPKQETDFTAPAFRWENQQLKAIYTPKNIYLDDLKGIERQKEKIIQNTLQFLNGLPANDVLLTGSRGTGKSSIVRALLTEYAPQGLRLIEIERDDLADLPKIQ------------KIIQNRPEKYIVY-------CDDLAFNAEDENYRSLKSVLDG-----------SLQSGSTNFIIYATSNRRHLLPEFMHENTPVTKVDVPQYTELHPQEAIEE-KISLSDRFGLWLSFYPMDQNLYLEIVEHYLDKANMPFNDEVRAESLRWCQMRGQRSGRAAYQF--SKHWIGLNAL--KDLSNN----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 4YPL Chain:C ((5-542)) LSDLEALRKKIEEVGMPEAVKTKALKELDRLERMQQGSPEATVARTYLDWLTEVPWSKADPEVL----DINHTRQVLDEDHYGLKDVKERILEYLAVRQLTQGLDVRNKAPILVLVGPPGVGKTSLGRSIAR---SMNRKFHRISLGGVRDEAEIRGHRRTYIGAMPGKLIHAMKQVGVINPVILLDQIDKMSSDWRGDPASAMLEVLDPEQNNTFTDHYLDVPYDLSKVFFITTANTLQTIPRPLLDR--MEVIEIPGYTNMEKQAIARQYLWPKQVRESGMEGRIEVTDAAILRVISEY-----------TREAGVRGLERELGKIARKGAKFWLEGAWEGLRTIDASDIPTYLGIPRYRPDKAETEPQVGTAQGLAWTPVGGTLLTIEVAAVPGSGKLSLTGQLGEVMKESAQAALTYLRAHTQDYGLPEDFYNKVDLHVHVPDGATPKDGPSAGITMATAIASALSRRPARMDIAMTGEVSLRGKVMPIGGVKEKLLAAHQAGIHKIVLPKDNEAQLEELPKEVLEGLEIKLVEDVGEVLEYLLLPEPTMPPVV

General information: TITO was launched using: RESULT: Template: 4YPL.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1125 60477 53.76 221.53 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain C : 0.60 3D Compatibility (PKB) : 53.76 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.263

(partial model without unconserved sides chains): PDB file : Tito_4YPL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YPL-query.scw PDB file : Tito_Scwrl_4YPL.pdb: